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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(6-methyl-3-pyridyl)methyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(6-methyl-3-pyridyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.37 5.61 -44.12 0 5 -1 73 233.247 3 ↓
Lo Low (pH 4.5-6) -0.37 6.05 -53.29 1 5 0 75 234.255 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(6-methyl-3-pyridyl)methyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(6-methyl-3-pyridyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.37 5.57 -50.13 0 5 -1 73 233.247 3 ↓
Lo Low (pH 4.5-6) -0.37 6 -43.94 1 5 0 75 234.255 3 ↓

Analogs

12404698
12404698

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Popular Name: methyl 5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate methyl 5-oxo-1-(pyridin-3-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.19 5.07 -11.39 0 5 0 60 234.255 4 ↓
Lo Low (pH 4.5-6) 0.19 5.35 -38.7 1 5 1 61 235.263 4 ↓

Analogs

12404697
12404697

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Popular Name: methyl 5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate methyl 5-oxo-1-(pyridin-3-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.19 5.07 -12.21 0 5 0 60 234.255 4 ↓
Lo Low (pH 4.5-6) 0.19 5.35 -37.85 1 5 1 61 235.263 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[[2-(aminomethyl)-3-pyridyl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[2-(aminomethyl)-3-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 3.55 -45.13 3 4 1 61 220.296 3 ↓
Hi High (pH 8-9.5) 0.29 3.16 -10.83 2 4 0 59 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[[2-(aminomethyl)-3-pyridyl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[2-(aminomethyl)-3-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 2.59 -54.59 3 4 1 61 220.296 3 ↓
Hi High (pH 8-9.5) 0.29 2.2 -10.17 2 4 0 59 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(6-chloro-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(6-chloro-3-pyridyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 5.51 -8.75 0 3 0 33 224.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(6-chloro-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(6-chloro-3-pyridyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 5.51 -8.89 0 3 0 33 224.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2-chloro-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2-chloro-3-pyridyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 5.22 -7.85 0 3 0 33 224.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(2-chloro-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2-chloro-3-pyridyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 5.21 -7.68 0 3 0 33 224.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile 3-[[(4R)-4-methyl-2-oxo-pyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 4.98 -8.32 0 4 0 57 215.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile 3-[[(4S)-4-methyl-2-oxo-pyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 4.95 -8.34 0 4 0 57 215.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carbothioamide 3-[[(4R)-4-methyl-2-oxo-pyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 4.36 -14.9 2 4 0 59 249.339 3 ↓
Lo Low (pH 4.5-6) 0.91 4.83 -49.16 3 4 1 60 250.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carbothioamide 3-[[(4S)-4-methyl-2-oxo-pyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 4.34 -14.81 2 4 0 59 249.339 3 ↓
Lo Low (pH 4.5-6) 0.91 4.82 -48.88 3 4 1 60 250.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(6-amino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(6-amino-3-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 3.82 -9.52 2 4 0 59 205.261 2 ↓
Mid Mid (pH 6-8) 0.53 4.3 -36.76 3 4 1 60 206.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(6-amino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(6-amino-3-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 3.82 -9.6 2 4 0 59 205.261 2 ↓
Mid Mid (pH 6-8) 0.53 4.3 -36.42 3 4 1 60 206.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-1-[[6-(methylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4R)-4-methyl-1-[[6-(methylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 5.21 -35.35 2 4 1 46 220.296 3 ↓
Mid Mid (pH 6-8) 0.90 4.74 -9.65 1 4 0 45 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-[[6-(methylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4S)-4-methyl-1-[[6-(methylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 5.21 -35.03 2 4 1 46 220.296 3 ↓
Mid Mid (pH 6-8) 0.90 4.74 -9.74 1 4 0 45 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[[6-(ethylamino)-3-pyridyl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[6-(ethylamino)-3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 6 -30.04 2 4 1 46 234.323 4 ↓
Mid Mid (pH 6-8) 1.28 5.52 -11.37 1 4 0 45 233.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[[6-(ethylamino)-3-pyridyl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[6-(ethylamino)-3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 6.01 -29.84 2 4 1 46 234.323 4 ↓
Mid Mid (pH 6-8) 1.28 5.53 -11.45 1 4 0 45 233.315 4 ↓

Analogs

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Popular Name: (4R)-4-methyl-1-[[6-(propylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4R)-4-methyl-1-[[6-(propylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 6.76 -30.27 2 4 1 46 248.35 5 ↓
Mid Mid (pH 6-8) 1.78 6.29 -11.07 1 4 0 45 247.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-[[6-(propylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4S)-4-methyl-1-[[6-(propylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 6.77 -30.1 2 4 1 46 248.35 5 ↓
Mid Mid (pH 6-8) 1.78 6.3 -11.12 1 4 0 45 247.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-1-[[2-(propylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4R)-4-methyl-1-[[2-(propylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 7.37 -33.44 2 4 1 46 248.35 5 ↓
Mid Mid (pH 6-8) 1.73 7.01 -9.21 1 4 0 45 247.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-[[2-(propylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4S)-4-methyl-1-[[2-(propylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 7.19 -33.53 2 4 1 46 248.35 5 ↓
Mid Mid (pH 6-8) 1.73 6.83 -9.49 1 4 0 45 247.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[[2-(ethylamino)-3-pyridyl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[2-(ethylamino)-3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.61 -33.32 2 4 1 46 234.323 4 ↓
Mid Mid (pH 6-8) 1.23 6.24 -9.35 1 4 0 45 233.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[[2-(ethylamino)-3-pyridyl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[2-(ethylamino)-3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.44 -33.36 2 4 1 46 234.323 4 ↓
Mid Mid (pH 6-8) 1.23 6.07 -9.62 1 4 0 45 233.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-1-[[2-(methylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4R)-4-methyl-1-[[2-(methylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 5.82 -33.86 2 4 1 46 220.296 3 ↓
Mid Mid (pH 6-8) 0.85 5.44 -9.73 1 4 0 45 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-[[2-(methylamino)-3-pyridyl]methyl]pyrrolidin-2-one (4S)-4-methyl-1-[[2-(methylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 5.64 -34.03 2 4 1 46 220.296 3 ↓
Mid Mid (pH 6-8) 0.85 5.26 -9.95 1 4 0 45 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2-amino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2-amino-3-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 4.02 -9.63 2 4 0 59 205.261 2 ↓
Mid Mid (pH 6-8) 0.48 4.5 -36.04 3 4 1 60 206.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(2-amino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2-amino-3-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 3.95 -9.85 2 4 0 59 205.261 2 ↓
Mid Mid (pH 6-8) 0.48 4.43 -36.06 3 4 1 60 206.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2-hydrazino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2-hydrazino-3-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.24 3.86 -10.14 3 5 0 71 220.276 3 ↓
Mid Mid (pH 6-8) 0.24 4.34 -33.51 4 5 1 72 221.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(2-hydrazino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2-hydrazino-3-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.24 3.78 -10.37 3 5 0 71 220.276 3 ↓
Mid Mid (pH 6-8) 0.24 4.27 -33.67 4 5 1 72 221.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(6-hydrazino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(6-hydrazino-3-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 3.73 -10.25 3 5 0 71 220.276 3 ↓
Mid Mid (pH 6-8) 0.29 4.2 -34.68 4 5 1 72 221.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(6-hydrazino-3-pyridyl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(6-hydrazino-3-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 3.73 -10.32 3 5 0 71 220.276 3 ↓
Mid Mid (pH 6-8) 0.29 4.2 -34.44 4 5 1 72 221.284 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(3-pyridylmethyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(3-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.69 1.07 -11.95 1 4 0 53 192.218 2 ↓
Lo Low (pH 4.5-6) -0.69 1.54 -35.86 2 4 1 55 193.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-(3-pyridylmethyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(3-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.69 1.08 -12.51 1 4 0 53 192.218 2 ↓
Lo Low (pH 4.5-6) -0.69 1.55 -34.43 2 4 1 55 193.226 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1S)-1-(3-pyridyl)ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S)-1-(3-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.13 1.26 -10.38 1 4 0 53 206.245 2 ↓
Lo Low (pH 4.5-6) -0.13 1.77 -37.59 2 4 1 55 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1R)-1-(3-pyridyl)ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R)-1-(3-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.13 1.59 -10.28 1 4 0 53 206.245 2 ↓
Lo Low (pH 4.5-6) -0.13 2.07 -38.83 2 4 1 55 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1S)-1-(3-pyridyl)ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1S)-1-(3-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.13 1.26 -11.22 1 4 0 53 206.245 2 ↓
Lo Low (pH 4.5-6) -0.13 1.77 -40.37 2 4 1 55 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1R)-1-(3-pyridyl)ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1R)-1-(3-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.13 1.59 -13.09 1 4 0 53 206.245 2 ↓
Lo Low (pH 4.5-6) -0.13 2.06 -37.08 2 4 1 55 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(6-methoxy-3-pyridyl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(6-methoxy-3-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.29 -0.45 -11.89 1 5 0 63 222.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(6-methoxy-3-pyridyl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(6-methoxy-3-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.29 -0.44 -12.55 1 5 0 63 222.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(6-methyl-3-pyridyl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(6-methyl-3-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.63 1.68 -12.19 1 4 0 53 206.245 2 ↓
Lo Low (pH 4.5-6) -0.63 2.12 -33.04 2 4 1 55 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(6-methyl-3-pyridyl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(6-methyl-3-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.63 1.69 -12.82 1 4 0 53 206.245 2 ↓
Lo Low (pH 4.5-6) -0.63 2.13 -31.76 2 4 1 55 207.253 2 ↓

Parameters Provided:

ring.id = 18006
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 18006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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